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    Título
    Universal behavior in complex-mediated reactions: Dynamics of S(1D) + o-D2 → D + SD at low collision energies
    Autor(es)
    Lara, Manuel
    García Jambrina, PabloAutoridad USAL ORCID
    Aoíz Moleres, Francisco Javier
    Palabras clave
    Stereodynamics
    Computational chemistry
    Reaction dynamics
    Fecha de publicación
    2023
    Editor
    AIP Publishing
    Citación
    Manuel Lara, P. G. Jambrina, F. J. Aoiz; Universal behavior in complex-mediated reactions: Dynamics of S(1D) + o-D2 → D + SD at low collision energies. J. Chem. Phys. 14 May 2023; 158 (18): 184303. https://doi.org/10.1063/5.0147182
    Resumen
    [EN]Reactive and elastic cross sections and rate coefficients have been calculated for the S(1D) + D2(v = 0, j = 0) reaction using a modified hyperspherical quantum reactive scattering method. The considered collision energy ranges from the ultracold regime, where only one partial wave is open, up to the Langevin regime, where many of them contribute. This work presents the extension of the quantum calculations, which in a previous study were compared with the experimental results, down to energies in the cold and ultracold domains. Results are analyzed and compared with the universal case of the quantum defect theory by Jachymski et al. [Phys. Rev. Lett. 110, 213202 (2013)]. State-to-state integral and differential cross sections are also shown covering the ranges of low-thermal, cold, and ultracold collision energy regimes. It is found that at E/kB < 1 K, there are substantial departures from the expected statistical behavior and that dynamical features become increasingly important with decreasing collision energy, leading to vibrational excitation.
    URI
    https://hdl.handle.net/10366/166357
    ISSN
    0021-9606
    DOI
    10.1063/5.0147182
    Versión del editor
    https://doi.org/10.1063/5.0147182
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